8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

C17H28F3N3O4 — CID 155860669

About 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid

8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155860669) has the molecular formula C17H28F3N3O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155860669
• Molecular Formula: C17H28F3N3O4
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.20
• IUPAC Name: 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CNC(=O)C1COC2(CN(C(C)C)C2)CN1CC1CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H27N3O2.C2HF3O2/c1-11(2)18-9-15(10-18)8-17(6-12-4-5-12)13(7-20-15)14(19)16-3;3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3,(H,16,19);(H,6,7)
• InChIKey: MKBFHNMSERGCDY-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid (CID 155860669) is 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)C1COC2(CN(C(C)C)C2)CN1CC1CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is MKBFHNMSERGCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.C2HF3O2/c1-11(2)18-9-15(10-18)8-17(6-12-4-5-12)13(7-20-15)14(19)16-3;3-2(4,5)1(6)7/h11-13H,4-10H2,1-3H3,(H,16,19);(H,6,7).

What are the key properties of 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid?

8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 395.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylmethyl)-N-methyl-2-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).